Computationally docked structures of congeneric ligands similar to BDBM18512. This Compound is an exact match to PDB HET ID CP6 in crystal structure 1J3J, and this crystal structure was used to guide the docking calculations.

*Higher Surflex scores correspond to higher quality docked structures.Crystal structure of CP6 from the 1J3J is used as reference for docking the others.CSV file for this table; mol2 file for the ligands.Docked with Surflex v2710. Full input and output files are here.Zoom = SHIFT + LEFT MOUSE BUTTON